SCHEMBL27600106

SCHEMBL27600106

CCOC(=O)C(C)c1ccc(Nc2ccc(F)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.47
▸ HDAC3 O15379 13/20 0.47
▸ NCOR2 Q9Y618 13/20 0.47
▸ HDAC2 Q92769 12/20 0.47
▸ KCNQ3 O43525 1/20 0.47
▸ KCNQ2 O43526 1/20 0.47
▸ KCNQ4 P56696 1/20 0.47
▸ KCNQ5 Q9NR82 1/20 0.47
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10914520 0.84 KMT2A (0.50) HDAC1HDAC3NCOR2HDAC2KCNQ3
SCHEMBL11857185 0.77 MAPT (0.47) MAPTKDM4ENPC1GAASMN1; SMN2
SCHEMBL1625348 0.74 LMNA (0.55) MAPTKDM4ENPC1GAASMN1; SMN2
SCHEMBL12135316 0.74 CDC25B (0.66) MAPTKDM4ENPC1GAAGFER
SCHEMBL11493469 0.73 LMNA (0.46) MAPTKDM4ENPC1GAASMN1; SMN2
SCHEMBL1625749 0.73 KCNQ3 (0.46) HDAC1HDAC3NCOR2HDAC2KCNQ3
Hydrochloric Acid SCHEMBL11037833 0.73 LMNA (0.53) MAPTKDM4ENPC1GAASMN1; SMN2
SCHEMBL30192767 0.72 PTGS2 (0.44) MAPTKDM4ENPC1SMN1; SMN2
SCHEMBL5948065 0.72 PTGS2 (0.44) MAPTKDM4ENPC1SMN1; SMN2
SCHEMBL27618307 0.72 CTDSP1 (0.47) MAPTKDM4ENPC1GAAGFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis — 2004-02-25 — — CN disclosed
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